N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine

C14H22ClN3 — CID 79583035

IUPACN-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cc(Cl)ccc2N)C1
InChIInChI=1S/C14H22ClN3/c1-17-7-3-4-13(10-17)18(2)9-11-8-12(15)5-6-14(11)16/h5-6,8,13H,3-4,7,9-10,16H2,1-2H3
InChIKeySRUOUAHLIWEIQX-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.45
Rot. Bonds3

About N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine

N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 79583035) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID79583035
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC NameN-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cc(Cl)ccc2N)C1
InChIInChI=1S/C14H22ClN3/c1-17-7-3-4-13(10-17)18(2)9-11-8-12(15)5-6-14(11)16/h5-6,8,13H,3-4,7,9-10,16H2,1-2H3
InChIKeySRUOUAHLIWEIQX-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 79583179
4-chloro-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 79583096
4-chloro-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 79582729
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79713286
N-[2-(2-aminoethyl)-4-chlorophenyl]-N,1-dimethylpiperidin-3-amine
CID 114860797
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 102662921
N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 81117134
N-(2-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547439
4-chloro-2-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 105482713
4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide
CID 107458463
3-chloro-N'-hydroxy-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 102666920

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine (CID 79583035) is N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)Cc2cc(Cl)ccc2N)C1.
What is the InChIKey of N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is SRUOUAHLIWEIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-17-7-3-4-13(10-17)18(2)9-11-8-12(15)5-6-14(11)16/h5-6,8,13H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine?
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 267.80 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 79583035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).